input word = C00017834

Metabolite InformationStructural formula
Name Sorangicin A
Formula C47H66O11
Mw 806.46051295
CAS RN 100415-25-6
C_ID C00017834 ,
InChIKey OTABDKFPJQZJRD-OMGZTWADNA-N
InChICode InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12-,22-16+,24-13-,31-27-/t30-,32-,33-,34-,35+,36-,37+,38-,39-,40-,41+,42+,43-,46+,47+/m0/s1
SMILES CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)/C=CC=C/C=CC1OC3CC1OC(/C=C/CC1OC(CC(O)C1C)C(O)C(O)/C=C/CC/C=C/C2)C3C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum So ce12 Ref.
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OrganismPolyangium cellulosum So ce12
ReferenceIrschik,J.Antibiotics,40,(1987),7